2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine

C15H27N3S — CID 66478416

IUPAC2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(C2C(C)(C)C2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-13(2,3)16-9-8-10-17-18-12(19-10)11-14(4,5)15(11,6)7/h11,16H,8-9H2,1-7H3
InChIKeyQZBYDBIOYCUWEZ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine

2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 66478416) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
PubChem CID66478416
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(C2C(C)(C)C2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-13(2,3)16-9-8-10-17-18-12(19-10)11-14(4,5)15(11,6)7/h11,16H,8-9H2,1-7H3
InChIKeyQZBYDBIOYCUWEZ-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine (CID 66478416) is 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1nnc(C2C(C)(C)C2(C)C)s1.
What is the InChIKey of 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is QZBYDBIOYCUWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-13(2,3)16-9-8-10-17-18-12(19-10)11-14(4,5)15(11,6)7/h11,16H,8-9H2,1-7H3.
What are the key properties of 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 66478416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).